4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide

Systemtic Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazol-3-yl]carbonylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Openeye Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-furylmethyl)pyrazole-3-carboxamide CAS Name: 4-[[[1-(1-adamantyl)-4-nitro-3-pyrazolyl]-oxomethyl]amino]-1-ethyl-N-(2-furanylmethyl)-3-pyrazolecarboxamide IUPAC Name: 4-[[1-(1-adamantyl)-4-nitropyrazole-3-carbonyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide Traditional Name: 4-[[1-(1-adamantyl)-4-nitro-pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-furfuryl)pyrazole-3-carboxamide Formula: C25H29N7O5 MolecularWeight: 507.54166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCC2=CC=CO2)NC(=O)C3=NN(C=C3[N+](=O)[O-])C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C25H29N7O5/c1-2-30-13-19(21(28-30)23(33)26-12-18-4-3-5-37-18)27-24(34)22-20(32(35)36)14-31(29-22)25-9-15-6-16(10-25)8-17(7-15)11-25/h3-5,13-17H,2,6-12H2,1H3,(H,26,33)(H,27,34)